4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane

C17H26N2 — CID 64924817

IUPAC4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane
SMILESCc1cccc(N2CCNC3(CCCCC3)C2)c1C
InChIInChI=1S/C17H26N2/c1-14-7-6-8-16(15(14)2)19-12-11-18-17(13-19)9-4-3-5-10-17/h6-8,18H,3-5,9-13H2,1-2H3
InChIKeyLGGPSAWJZBYMFS-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.42
Rot. Bonds1

About 4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane

4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64924817) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64924817
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane
SMILESCc1cccc(N2CCNC3(CCCCC3)C2)c1C
InChIInChI=1S/C17H26N2/c1-14-7-6-8-16(15(14)2)19-12-11-18-17(13-19)9-4-3-5-10-17/h6-8,18H,3-5,9-13H2,1-2H3
InChIKeyLGGPSAWJZBYMFS-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane (CID 64924817) is 4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane is Cc1cccc(N2CCNC3(CCCCC3)C2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is LGGPSAWJZBYMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-7-6-8-16(15(14)2)19-12-11-18-17(13-19)9-4-3-5-10-17/h6-8,18H,3-5,9-13H2,1-2H3.
What are the key properties of 4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane?
4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 258.41 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64924817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).